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Title: Materials Data on TaVB4 by Materials Project

Abstract

TaVB4 is hexagonal omega structure-derived structured and crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Ta3+ is bonded to twelve equivalent B+1.50- atoms to form TaB12 cuboctahedra that share edges with twelve equivalent VB12 cuboctahedra, faces with two equivalent VB12 cuboctahedra, and faces with six equivalent TaB12 cuboctahedra. All Ta–B bond lengths are 2.43 Å. V3+ is bonded to twelve equivalent B+1.50- atoms to form VB12 cuboctahedra that share edges with twelve equivalent TaB12 cuboctahedra, faces with two equivalent TaB12 cuboctahedra, and faces with six equivalent VB12 cuboctahedra. All V–B bond lengths are 2.32 Å. B+1.50- is bonded in a 9-coordinate geometry to three equivalent Ta3+, three equivalent V3+, and three equivalent B+1.50- atoms. All B–B bond lengths are 1.77 Å.

Publication Date:
Other Number(s):
mp-1217818
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; TaVB4; B-Ta-V
OSTI Identifier:
1748643
DOI:
https://doi.org/10.17188/1748643

Citation Formats

The Materials Project. Materials Data on TaVB4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1748643.
The Materials Project. Materials Data on TaVB4 by Materials Project. United States. doi:https://doi.org/10.17188/1748643
The Materials Project. 2020. "Materials Data on TaVB4 by Materials Project". United States. doi:https://doi.org/10.17188/1748643. https://www.osti.gov/servlets/purl/1748643. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1748643,
title = {Materials Data on TaVB4 by Materials Project},
author = {The Materials Project},
abstractNote = {TaVB4 is hexagonal omega structure-derived structured and crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Ta3+ is bonded to twelve equivalent B+1.50- atoms to form TaB12 cuboctahedra that share edges with twelve equivalent VB12 cuboctahedra, faces with two equivalent VB12 cuboctahedra, and faces with six equivalent TaB12 cuboctahedra. All Ta–B bond lengths are 2.43 Å. V3+ is bonded to twelve equivalent B+1.50- atoms to form VB12 cuboctahedra that share edges with twelve equivalent TaB12 cuboctahedra, faces with two equivalent TaB12 cuboctahedra, and faces with six equivalent VB12 cuboctahedra. All V–B bond lengths are 2.32 Å. B+1.50- is bonded in a 9-coordinate geometry to three equivalent Ta3+, three equivalent V3+, and three equivalent B+1.50- atoms. All B–B bond lengths are 1.77 Å.},
doi = {10.17188/1748643},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}